methyl 3-[[2-(1-adamantyl)ethanoylamino]sulfamoyl]benzoate

Systemtic Name: methyl 3-[[2-(1-adamantyl)ethanoylamino]sulfamoyl]benzoate Openeye Name: methyl 3-[[[2-(1-adamantyl)acetyl]amino]sulfamoyl]benzoate CAS Name: 3-[[[2-(1-adamantyl)-1-oxoethyl]amino]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[2-(1-adamantyl)acetyl]amino]sulfamoyl]benzoate Traditional Name: 3-[[[2-(1-adamantyl)acetyl]amino]sulfamoyl]benzoic acid methyl ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26N2O5S/c1-27-19(24)16-3-2-4-17(8-16)28(25,26)22-21-18(23)12-20-9-13-5-14(10-20)7-15(6-13)11-20/h2-4,8,13-15,22H,5-7,9-12H2,1H3,(H,21,23)